N-[2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl]-2-fluoranyl-benzamide

Systemtic Name: N-[2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl]-2-fluoranyl-benzamide Openeye Name: N-[2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-oxo-ethyl]-2-fluoro-benzamide CAS Name: N-[2-[3-(1-azepanylsulfonyl)-4-methylanilino]-2-oxoethyl]-2-fluorobenzamide IUPAC Name: N-[2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl]-2-fluorobenzamide Traditional Name: N-[2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-keto-ethyl]-2-fluoro-benzamide Formula: C22H26FN3O4S MolecularWeight: 447.522943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CNC(=O)C2=CC=CC=C2F)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CNC(=O)C2=CC=CC=C2F)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H26FN3O4S/c1-16-10-11-17(14-20(16)31(29,30)26-12-6-2-3-7-13-26)25-21(27)15-24-22(28)18-8-4-5-9-19(18)23/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3,(H,24,28)(H,25,27)